SCHEMBL6356641

SCHEMBL6356641

COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(Cl)cc23)C(C)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.51
KCNH2 Q12809 3/20 0.43
HTR6 P50406 2/20 0.43
SLC6A4 P31645 2/20 0.42
HTR7 P34969 1/20 0.42
DRD2 P14416 1/20 0.40
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6356825 0.90 HTR1A (0.53) HTR1AKCNH2HTR6SLC6A4HTR7
SCHEMBL6361481 0.87 HTR1A (0.41) HTR1AKCNH2HTR6SLC6A4HTR7
SCHEMBL6354737 0.87 HTR1A (0.66) HTR1AKCNH2HTR6SLC6A4HTR7
SCHEMBL6358396 0.85 HTR1A (0.46) HTR1AKCNH2SLC6A4HTR7DRD2
SCHEMBL6361478 0.85 HTR1A (0.49) HTR1AKCNH2HTR6SLC6A4HTR7
SCHEMBL6356505 0.85 HTR6 (0.39) HTR1AKCNH2HTR6SLC6A4HTR7
SCHEMBL6356692 0.84 HTR1A (0.38) HTR1AKCNH2SLC6A4HTR7MAPT
SCHEMBL8978839 0.84 HTR1A (0.37) HTR1AKCNH2SLC6A4HTR7
SCHEMBL8978746 0.84 HTR1A (0.39) HTR1AKCNH2SLC6A4HTR7
Hydrochloric Acid SCHEMBL8786692 0.83 HRH4 (0.42) HTR1AHTR7LMNATP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP claimed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP claimed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 US claimed
US-20050095286-A1 Extended release compositions FABRE KRAMER PHARMACEUTICALS, INC. (US) 2005-05-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050095286-A1 Extended release compositions PDE3A, GIPR, PDE7A HTR1A 22/4885KCNH2 3678/4885HTR6 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.